SCHEMBL2175032

SCHEMBL2175032

COCCOc1cccc2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
CYP2A6 P11509 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.36
PDE5A O76074 1/20 0.35
MIF P14174 1/20 0.35
HTR1B P28222 4/20 0.35
TSHR P16473 1/20 0.35
HTR1D P28221 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
SLC6A4 P31645 2/20 0.34
HRH1 P35367 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31341809 0.85 CYP2A6 (0.40) CYP2A6HTR2AHTR2CHTR2BPDE5A
SCHEMBL3794905 0.85 PDE5A (0.47) CYP2A6MEN1KMT2AHTR2CHTR2B
SCHEMBL3795519 0.83 MCHR1 (0.48) CYP2A6MEN1KMT2APDE5AHTR1B
SCHEMBL3792044 0.81 CYP2A6 (0.42) CYP2A6MEN1KMT2ALMNA
SCHEMBL154424 0.80 CYP2A6 (0.47) CYP2A6MEN1KMT2AHTR2AHTR2C
SCHEMBL28744559 0.75 CYP2A6 (0.47) CYP2A6MEN1KMT2AHTR2AHTR2C
SCHEMBL2176746 0.73 MAPT (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL667918 0.72 HTR1B (0.65) KDM1AHTR1BHTR1DSLC6A4HRH1
SCHEMBL30007810 0.72 HTR1B (0.65) KDM1AHTR1BHTR1DSLC6A4HRH1
SCHEMBL2974587 0.71 MAPT (0.56) MIFTSHRSMN1; SMN2NPC1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 KDM1A 1161/4885CYP2A6 1152/4885MEN1 1402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.